2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoylamino]-3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]amino]-3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoylamino]-3-(2-methyl-1,3-dithiolan-2-yl)propionic acid Formula: C22H32N2O5S2 MolecularWeight: 468.62988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)NC(CC2(SCCS2)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)NC(CC2(SCCS2)C)C(=O)O

InChI

InChI=1S/C22H32N2O5S2/c1-4-29-21(28)17(11-10-16-8-6-5-7-9-16)23-15(2)19(25)24-18(20(26)27)14-22(3)30-12-13-31-22/h5-9,15,17-18,23H,4,10-14H2,1-3H3,(H,24,25)(H,26,27)